| Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023 | 5905 | 2023 |
| AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023 | 618 | 2023 |
| AMBER 2018; 2018 DA Case, IY Ben-Shalom, SR Brozell, DS Cerutti, TE Cheatham Iii, ... University of California, San Francisco, 2018 | 125 | 2018 |
| Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions J Liu, WH Miller The Journal of chemical physics 125 (22), 2006 | 112 | 2006 |
| Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: Applications to condensed phase systems J Liu, WH Miller The Journal of chemical physics 127 (11), 2007 | 110 | 2007 |
| Unified efficient thermostat scheme for the canonical ensemble with holonomic or isokinetic constraints via molecular dynamics Z Zhang, X Liu, K Yan, M Tuckerman, J Liu Journal of Physical Chemistry A 123 (28), 6056-6079, 2019 | 106 | 2019 |
| A simple and accurate algorithm for path integral molecular dynamics J Liu, D Li, X Liu Journal of Chemical Physics 145, 024103, 2016 | 98 | 2016 |
| Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum J Liu, WH Miller, F Paesani, W Zhang, DA Case The Journal of chemical physics 131 (16), 2009 | 98 | 2009 |
| A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids J Liu, WH Miller The Journal of chemical physics 131 (7), 2009 | 98 | 2009 |
| Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation J Liu, WH Miller The Journal of chemical physics 126 (23), 2007 | 86 | 2007 |
| Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field J Liu, WH Miller, GS Fanourgakis, SS Xantheas, S Imoto, S Saito The Journal of chemical physics 135 (24), 2011 | 80 | 2011 |
| A unified theoretical framework for mapping models for the multi-state Hamiltonian J Liu Journal of Chemical Physics 145, 204105, 2016 | 78 | 2016 |
| Dynamical Correlation Effects on Photoisomerization: Ab Initio Multiple Spawning Dynamics with MS-CASPT2 for a Model trans-Protonated Schiff Base L Liu, J Liu, TJ Martínez The Journal of Physical Chemistry B 120 (8), 1940–1949, 2015 | 73 | 2015 |
| Recent advances in the linearized semiclassical initial value representation/classical W igner model for the thermal correlation function J Liu International Journal of Quantum Chemistry 115 (11), 657-670, 2015 | 70 | 2015 |
| AMBER 12; University of California, San Francisco: San Francisco, CA, 2012 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... There is no corresponding record for this reference, 0 | 68 | |
| AMBER 11, 2010 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... University of California, San Francisco 5, 2010 | 65* | 2010 |
| Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen J Liu, WH Miller The Journal of chemical physics 128 (14), 2008 | 65 | 2008 |
| A new perspective for nonadiabatic dynamics with phase space mapping models X He, J Liu Journal of Chemical Physics 151, 024105, 2019 | 58 | 2019 |
| A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics Z Zhang, X Liu, Z Chen, H Zheng, K Yan, J Liu Journal of Chemical Physics 147, 034109, 2017 | 58 | 2017 |
| An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics: I. Theories J Liu, Miller, W H. The Journal of Chemical Physics 134 (10), 104101, 2011 | 55 | 2011 |
William H. MILLERprofessor of chemistry, University of California, Berkeleyایمیل تأیید شده در berkeley.edu
